SCHEMBL753331

SCHEMBL753331

Cc1ccc(Oc2ccccc2)nn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 5/20 0.48
TSHR P16473 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP2C19 P33261 2/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.47
HTT P42858 3/20 0.46
LTA4H P09960 2/20 0.44
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
HAO1 Q9UJM8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4276104 0.87 BCAT2 (0.75) BCAT2MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL10134383 0.83 MEN1 (0.83) BCAT2MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL20176871 0.82 MEN1 (0.55) BCAT2MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL851116 0.80 MEN1 (0.59) BCAT2MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4797268 0.80 MEN1 (0.59) BCAT2MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL753246 0.80 MEN1 (0.59) BCAT2MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4797272 0.80 MEN1 (0.59) BCAT2MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL20176868 0.80 LMNA (0.50) BCAT2MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL13750597 0.78 SYK (0.46) BCAT2MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL8736571 0.77 MEN1 (0.55) BCAT2MEN1KMT2ASMN1; SMN2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 WO disclosed
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT BCAT2 331/4885MEN1 4766/4885KMT2A 516/4885
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R BCAT2 685/4885MEN1 1477/4885KMT2A 3540/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BCAT2 342/4885MEN1 4775/4885KMT2A 667/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BCAT2 342/4885MEN1 4775/4885KMT2A 667/4885
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 BCAT2 1004/4885MEN1 3821/4885KMT2A 1689/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.